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Modeling Precipitate Microstructure Evolution in Alloys with First-Principles Energetic Information

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Abstract:

This short article reports our recent effort to integrate the mesoscale phase-field method with first-principles total energy calculations, linear response theory, as well as mixedspace cluster expansion. A particular example of applying such a multiscale approach to the case of precipitation of semicoherent θ' particles in an Al-matrix is presented.

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Periodical:

Materials Science Forum (Volumes 449-452)

Pages:

19-24

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.449-452.19

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Online since:

March 2004

Authors:

Veeramuthu Vaithianathan, C. Wolverton, Long Qing Chen

Keywords:

Aluminium Alloy, First-Principle, Multi-Scale, Phase-Field Method, Precipitate Morphology

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© 2004 Trans Tech Publications Ltd. All Rights Reserved

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